2,3,4-trimethyl-1,3-thiazol-3-ium iodide

• ChemBase ID: 81833
• Molecular Formular: C6H10INS
• Molecular Mass: 255.11977
• Monoisotopic Mass: 254.95786833
• SMILES: [n+]1(c(scc1C)C)C.[I-]
• Canonical SMILES: Cc1scc([n+]1C)C.[I-]
• InChI: InChI=1S/C6H10NS.HI/c1-5-4-8-6(2)7(5)3;/h4H,1-3H3;1H/q+1;/p-1
• InChIKey: WIJKXQIVWMOUHL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-trimethyl-1,3-thiazol-3-ium iodide
• IUPAC Traditional name: 2,3,4-trimethyl-1,3-thiazol-3-ium iodide
• Synonyms: 2,3,4-trimethyl-1,3-thiazol-3-ium iodide

Database IDs

• MDL Number: MFCD00044168
• PubChem SID: 162068952
• PubChem CID: 2777821

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.6116076
• LogD (pH = 7.4): -3.6116076
• Log P: -3.6116076
• Molar Refractivity: 46.257 cm^3
• Polarizability: 13.634784 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true